Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:05:14 UTC
Update Date2025-03-24 16:39:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00927069
Frequency1.6
Structure
Chemical FormulaC6H7NO3
Molecular Mass141.0426
SMILESCC(O)c1c(N)c(=O)c1=O
InChI KeyIEDLOWGAUYEIOZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous amides
Subclass vinylogous amides
Direct Parent vinylogous amides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • vinylogous amide
  • cyclic ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound